Compound Detail
CHEMBL1543659
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Basic Information
| ChEMBL ID | CHEMBL1543659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVCQNERUSOKMJK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
5.41
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.14 | 5.14 | 7155.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8389.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 7155.59 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | IC50 | = | 8389.0 | nM | 5.08 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine